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82334-23-4 | 2H-1-Benzopyran-6-carboxaldehyde, 7-hydroxy-8-methoxy-2-oxo-
CAS No: 82334-23-4 Catalog No: AG00541K MDL No:
Product Description
Catalog Number:
AG00541K
Chemical Name:
2H-1-Benzopyran-6-carboxaldehyde, 7-hydroxy-8-methoxy-2-oxo-
CAS Number:
82334-23-4
Molecular Formula:
C11H8O5
Molecular Weight:
220.1782
IUPAC Name:
7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
InChI:
InChI=1S/C11H8O5/c1-15-11-9(14)7(5-12)4-6-2-3-8(13)16-10(6)11/h2-5,14H,1H3
InChI Key:
IJNDWEFBRLVART-UHFFFAOYSA-N
SMILES:
COc1c(O)c(C=O)cc2c1oc(=O)cc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.18g/mol
Monoisotopic Mass:
220.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Formation of 6-formyl-7-hydroxy-8-methoxycoumarin and 5,8-dioxopsoralen by reaction of 8-methoxypsoralen with H2O2 and potassium superoxide (KO2) catalyzed by halogenated or perhalogenated 5,10,15,20-tetraarylporphyrinatoiron(III) chlorides. | Chemical & pharmaceutical bulletin 20010901 |
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